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SMILES: C(C(=O)O)C1(CCCCC1)C#N Canonical SMILES: N#CC1(CCCCC1)CC(=O)O InChI: InChI=1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12) InChIKey: YGFXLCAKCKPSQQ-UHFFFAOYSA-N
CBID:796655 http://www.chembase.cn/molecule-796655.html